CAS号:90-19-7-鼠李素 - Rhamnetin-科华智慧

1. 主信息

英文名:	Rhamnetin
中文名:	鼠李素
CAS编号:	90-19-7
化学分子式：	C₁₆H₁₂O₇
化学分子量：	316.26 g/mol
SMILES：	COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
来源：	-
结构类型：	黄酮醇类
其它名称或标识：	2-(3,4-dihydroxy-phenyl)-3,5-dihydroxy-7-methoxy-chromen-4-one 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4h-1-benzopyran-4-one 3,3',4',5-tetrahydroxy-7-methoxyflavone 3,5,3',4'-tetrahydroxy-7-methoxyflavone 7-methoxy-quercetin

2. 供应商与价格

供应商	包装规格	含量	价格(元)	购买	环境要求	货期	说明
科华智慧	5mg	HPLC≥98%	2400	点击购买	2-8℃	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 35 37 0 0 0 0 0 0 0999 V2000 -0.1207 -0.7328 -0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 2.7091 -0.0576 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4979 -2.5655 -0.0179 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0026 2.1531 0.1684 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5565 3.0740 0.0931 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9359 -0.8082 2.0412 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1597 -1.0770 -0.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0255 0.7639 0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4718 -0.5119 -0.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 0.3609 -0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1527 -0.0159 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1282 1.9294 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3246 1.6420 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4112 0.9287 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3017 -1.6332 -0.0742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 -1.4729 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2391 -0.1944 0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8852 -0.2379 0.9735 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7677 -0.1507 -1.4381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2314 -0.5943 0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1139 -0.5071 -1.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8457 -0.7289 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9032 -2.3304 0.0551 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8730 -2.6302 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 -0.0097 0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4138 -0.1356 1.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2100 0.0185 -2.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5866 -0.6104 -2.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 3.5219 -0.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3336 2.8546 0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1831 -1.8530 1.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3955 -3.3082 0.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2640 -1.7724 -0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -1.3666 1.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6134 -0.8597 0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 30 1 0 0 0 0 5 12 2 0 0 0 0 6 20 1 0 0 0 0 6 34 1 0 0 0 0 7 22 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 14 2 0 0 0 0 9 15 2 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 17 25 1 0 0 0 0 18 20 1 0 0 0 0 18 26 1 0 0 0 0 19 21 2 0 0 0 0 19 27 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 28 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 23 33 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxychromen-4-one

4.2 InChl

InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3

4.3 InChlKey

JGUZGNYPMHHYRK-UHFFFAOYSA-N

4.4 Canonical SMILES

COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O

4.5 lsomeric SMILES

4.6 SDF文件

                  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS 23 25 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 6.06218 -1.5 0 0
M  V30 2 O 5.19615 -1 0 0
M  V30 3 C 4.33013 -1.5 0 0
M  V30 4 C 4.33013 -2.5 0 0
M  V30 5 C 3.4641 -3 0 0
M  V30 6 C 2.59808 -2.5 0 0
M  V30 7 C 2.59808 -1.5 0 0
M  V30 8 C 3.4641 -1 0 0
M  V30 9 O 1.73205 -1 0 0
M  V30 10 C 0.866025 -1.5 0 0
M  V30 11 C 0.866025 -2.5 0 0
M  V30 12 C 1.73205 -3 0 0
M  V30 13 O 1.73205 -4 0 0
M  V30 14 O -1.33227e-15 -3 0 0
M  V30 15 C -6.10623e-16 -1 0 0
M  V30 16 C -0.866025 -1.5 0 0
M  V30 17 C -1.73205 -1 0 0
M  V30 18 C -1.73205 3.33067e-16 0 0
M  V30 19 C -0.866025 0.5 0 0
M  V30 20 C -0 -0 0 0
M  V30 21 O -2.59808 0.5 0 0
M  V30 22 O -2.59808 -1.5 0 0
M  V30 23 O 3.4641 -4 0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 2 3
M  V30 3 1 3 8
M  V30 4 2 3 4
M  V30 5 1 4 5
M  V30 6 2 5 6
M  V30 7 1 5 23
M  V30 8 1 6 12
M  V30 9 1 6 7
M  V30 10 2 7 8
M  V30 11 1 7 9
M  V30 12 1 9 10
M  V30 13 2 10 11
M  V30 14 1 10 15
M  V30 15 1 11 12
M  V30 16 1 11 14
M  V30 17 2 12 13
M  V30 18 1 15 20
M  V30 19 2 15 16
M  V30 20 1 16 17
M  V30 21 2 17 18
M  V30 22 1 17 22
M  V30 23 1 18 19
M  V30 24 1 18 21
M  V30 25 2 19 20
M  V30 END BOND
M  V30 END CTAB
M  END

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称	英文名称	拉丁文名称
葱白	Allium bulb, Wild scallion, Chinese green onion	Bulbus Allii Fistulosi
大蓟	all-grass of Thistle	Herba Cirsii Japonici;Radix Cirsii Japonici;Herba
丁香	Clove	Flos Caryophylli
儿茶	Cutch, Black Catechu	Catechu
蜂胶	Propolis	Apis mellifera ligustica
钩枝藤	Ancistrocladus	Ancistrocladus korupensis
广藿香	Pogostemon Cablin (Blanco) Benth.	-
花白蜡树	Flowering Ash	Fraxinus ornus
黄花蒿	Sweet Wormwood Equivalent plant: Artemisia apiacea	Artemisia annua
金荞麦	Wild Buckwheat Rhizome	Rhizoma Fagopyri Cymosi

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型